5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine

C32H31N — CID 174609917

IUPAC5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine
SMILESCC1(C)C=CC2=C(C1)CC(C)(C)c1c2ccc2c(Nc3ccc4ccccc4c3)cccc12
InChIInChI=1S/C32H31N/c1-31(2)17-16-25-23(19-31)20-32(3,4)30-27-10-7-11-29(26(27)14-15-28(25)30)33-24-13-12-21-8-5-6-9-22(21)18-24/h5-18,33H,19-20H2,1-4H3
InChIKeyOQGYVSBZBUZODN-UHFFFAOYSA-N
MW429.61 g/mol
LogP9.16
Rot. Bonds2

About 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine

5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine (PubChem CID 174609917) has the molecular formula C32H31N and a molecular weight of 429.61 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine
PubChem CID174609917
Molecular FormulaC32H31N
Molecular Weight429.61 g/mol
Exact Mass429.25
IUPAC Name5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine
SMILESCC1(C)C=CC2=C(C1)CC(C)(C)c1c2ccc2c(Nc3ccc4ccccc4c3)cccc12
InChIInChI=1S/C32H31N/c1-31(2)17-16-25-23(19-31)20-32(3,4)30-27-10-7-11-29(26(27)14-15-28(25)30)33-24-13-12-21-8-5-6-9-22(21)18-24/h5-18,33H,19-20H2,1-4H3
InChIKeyOQGYVSBZBUZODN-UHFFFAOYSA-N
XLogP9.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine?
The IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine (CID 174609917) is 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine.
What is the SMILES notation for 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine?
The canonical SMILES for 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine is CC1(C)C=CC2=C(C1)CC(C)(C)c1c2ccc2c(Nc3ccc4ccccc4c3)cccc12.
What is the InChIKey of 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine?
The InChIKey is OQGYVSBZBUZODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N/c1-31(2)17-16-25-23(19-31)20-32(3,4)30-27-10-7-11-29(26(27)14-15-28(25)30)33-24-13-12-21-8-5-6-9-22(21)18-24/h5-18,33H,19-20H2,1-4H3.
What are the key properties of 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine?
5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine has a molecular weight of 429.61 g/mol, XLogP of 9.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-N-naphthalen-2-yl-6,7-dihydrochrysen-1-amine is sourced from PubChem (CID 174609917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).